2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole

C19H19FN4O3S — CID 4824619

IUPAC2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
SMILESO=S(=O)(c1ccc(F)cc1)N1CCN(Cc2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C19H19FN4O3S/c20-16-6-8-17(9-7-16)28(25,26)24-12-10-23(11-13-24)14-18-21-22-19(27-18)15-4-2-1-3-5-15/h1-9H,10-14H2
InChIKeyJVGNQNJADZOBEL-UHFFFAOYSA-N
MW402.45 g/mol
LogP2.38
Rot. Bonds5

About 2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole

2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 4824619) has the molecular formula C19H19FN4O3S and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID4824619
Molecular FormulaC19H19FN4O3S
Molecular Weight402.45 g/mol
Exact Mass402.12
IUPAC Name2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
SMILESO=S(=O)(c1ccc(F)cc1)N1CCN(Cc2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C19H19FN4O3S/c20-16-6-8-17(9-7-16)28(25,26)24-12-10-23(11-13-24)14-18-21-22-19(27-18)15-4-2-1-3-5-15/h1-9H,10-14H2
InChIKeyJVGNQNJADZOBEL-UHFFFAOYSA-N
XLogP2.38
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(1,3,4-Oxadiazol-2-yl)phenyl]sulfonylmorpholine
CID 2408761
1-Benzyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazine
CID 3959338
1-Ethyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazine
CID 8071224
N,N-Diethyl-4-[5-(2-morpholin-4-yl-2-oxo-ethylsulfanyl)-[1,3,4]oxadiazol-2-yl]-benzenesulfonamide
CID 647790
1-(2-Fluoro-phenyl)-2-{5-[4-(morpholine-4-sulfonyl)-phenyl]-[1,3,4]oxadiazol-2-ylsulfanyl}-ethanone
CID 650831
1-(4-fluorophenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 17392931
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 24981697
4-[5-(4-Fluorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
CID 155547969
3-[5-(4-Fluorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
CID 155565232
1-Ethyl-4-{[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}piperazine
CID 8030976
1-Methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazine
CID 8073747
N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 57394996

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole (CID 4824619) is 2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole is O=S(=O)(c1ccc(F)cc1)N1CCN(Cc2nnc(-c3ccccc3)o2)CC1.
What is the InChIKey of 2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is JVGNQNJADZOBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3S/c20-16-6-8-17(9-7-16)28(25,26)24-12-10-23(11-13-24)14-18-21-22-19(27-18)15-4-2-1-3-5-15/h1-9H,10-14H2.
What are the key properties of 2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole?
2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 402.45 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 4824619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).